10967/121 - QDB Compounds

QsarDB Repository

Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.

Compound

ID:PCDE-132
Name:2,3,4,2',3',6'-Hexachlorodiphenylether
Description:
Labels:Validation
CAS:
InChi Code:InChI=1S/C12H4Cl6O/c13-5-3-4-8(11(18)9(5)16)19-12-7(15)2-1-6(14)10(12)17/h1-4H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-3.75

experimental value

-3.387

Eq.2: GA-PLS model (Validation set)